General Characteristics
2D structure
NatID 68
Common Name Sakuranetin
Molecular Formula C16H14O5
Chemical Class Flavonoids > O-methylated flavonoids
Molecular Weight 286.084 g/mol
Other names

 

Representations
Smiles COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O
Inchi InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
Inchi Key DJOJDHGQRNZXQQ-AWEZNQCLSA-N
3D Structure

 

Calculated Properties
clogP 2.81
TPSA 75.99
HBD 2
HBA 5
Rotatable Bonds 2
Aromatic Rings 2
Heavy Atoms 21
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9586 Baccharis aliena No Very High Pacciaroni, A. del V., de los Angeles Gette, M., Derita, M., Ariza-Espinar, L., Gil, R. R., Zacchino, S. A., & Silva, G. L. (2008). Antifungal activity ofHeterothalamus alienus metabolites. Phytotherapy Research, 22(4), 524–528. https://doi.org/10.1002/ptr.2380

 

Bioassay ID NPASS ID Target Activity type Activity